SCHEMBL615460

SCHEMBL615460

CC(C=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EDNRA P25101 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
OGA O60502 2/20 0.46
MAPK1 P28482 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methane SCHEMBL3112493 0.98 EDNRA (0.49) ALDH1A1EDNRAHSD17B10TDP1CYP1A2
SCHEMBL27846332 0.89 PTGS1 (0.58) ALDH1A1EDNRACYP1A2CYP2C19KMT2A
SCHEMBL28050163 0.86 ALDH1A1 (0.47) ALDH1A1EDNRAHSD17B10TDP1CYP1A2
SCHEMBL27567430 0.81 ALDH1A1 (0.53) ALDH1A1EDNRAHSD17B10TDP1CYP1A2
SCHEMBL7471799 0.79 CYP1A2 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL108228 0.79 CYP3A4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL70200 0.79 MEN1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27496096 0.79 ALDH1A1 (0.50) ALDH1A1EDNRAHSD17B10TDP1CYP1A2
SCHEMBL27444135 0.79 ALDH1A1 (0.50) ALDH1A1EDNRAHSD17B10TDP1CYP1A2
SCHEMBL27436315 0.79 EDNRA (0.50) ALDH1A1EDNRAHSD17B10TDP1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115955956-A 1-alkoxyethyl-3-isobutylbenzene and 1-carboxyethyl-3-isobutylbenzene as aromatic components 巴斯夫欧洲公司 2023-04-11 CN disclosed
EP-3986995-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2022-04-27 EP disclosed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
CN-102056903-A New drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases UNIV MUENCHEN L MAXIMILIANS 2011-05-11 CN disclosed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
CN-1964978-A Furanopyrimidine compounds effective as potassium channel inhibitors XENTION LTD (GB) 2007-05-16 CN disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES WFS1, EPHX2, MANBA ALDH1A1 36/4885EDNRA 3525/4885HSD17B10 2815/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 ALDH1A1 2216/4885EDNRA 812/4885HSD17B10 2538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.